Compound Identification
SMILES
C[C@@]12CN3C4[C@@H]5C[C@H]6[C@H](O)[C@H]7[C@]4(CCC1)[C@@H]2[C@]3(CC57[C@H](O)C6=C)OC(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=MEYRAGKWYKBOGD-LQTSVSAZSA-N
Formula
C27H30N2O6
Mass
478.545
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Diterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Diterpenoids
Intermediate Tree Nodes
Villanovane, atisane, trachylobane or helvifulvane diterpenoids - Atisane diterpenoids
Direct Parent
Hetisine-type diterpenoid alkaloids
Alternative Parents
Nitrobenzoic acids and derivatives Quinolizidines Azaspirodecane derivatives Benzoic acid esters Alkaloids and derivatives Indoles and derivatives Indolizidines Nitrobenzenes Isoindolines Benzoyl derivatives Nitroaromatic compounds Azepanes Piperidines N-alkylpyrrolidines Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hetisine-type diterpenoid alkaloid - Nitrobenzoate - Azaspirodecane - Quinolizidine - Benzoate ester - Nitrobenzene - Isoindole or derivatives - Isoindoline - Indolizidine - Indole or derivatives - Alkaloid or derivatives - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Azepane - Piperidine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Cyclic alcohol - Pyrrolidine - C-nitro compound - Secondary alcohol - Carboxylic acid ester - Organic nitro compound - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hetisine-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hetisine skeleton, which is a heptacyclic compound with an additional N-C-6 bond as compared with the hetidine-type, and thus, is one of most complex entries in the atisane-class.
External Descriptors
Not available